Edetic Acid

Edetic Acid

SCHEMBL7150313

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.O=P(O)(O)O.[Cl-].[Na+]

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Edetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.67
TDP1 Q9NUW8 3/20 0.70
EYA2 O00167 1/20 0.70
APP P05067 1/20 0.70
ACE P12821 1/20 0.70
BLM P54132 3/20 0.67
PMP22 Q01453 2/20 0.67
KDM4E B2RXH2 2/20 0.67
ALOX15 P16050 2/20 0.67
LMNA P02545 2/20 0.67
TSHR P16473 2/20 0.67
CHRM2 P08172 1/20 0.67
ADRA2A P08913 1/20 0.67
DRD1 P21728 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
CYP2C19 P33261 1/20 0.67
DRD3 P35462 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Edetic Acid SCHEMBL57815 0.95 TDP1 (0.78) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL3881101 0.95 TDP1 (0.78) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL14632752 0.92 TDP1 (0.74) TDP1EYA2APPACEBLM
Pentetic Acid SCHEMBL6913169 0.92 TDP1 (0.79) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL28036095 0.92 TDP1 (0.74) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL12275301 0.92 TDP1 (0.74) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL1125702 0.91 TDP1 (0.64) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL28856674 0.91 TDP1 (0.64) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL8628637 0.90 TDP1 (0.70) TDP1EYA2APPACEBLM
Edetic Acid SCHEMBL2480547 0.89 TDP1 (0.88) TDP1EYA2APPACEBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6524613-B1 Using recombinagenic oligonucleobases in vivo for the correction of disease causing genetic defects and the prevention of disease by modififying genes that encode Apolipoprotein B and E REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-02-25 US disclosed
EP-1054595-A4 METHODS AND COMPOUNDS FOR THE GENETIC TREATMENT OF HYPERLIPIDEMIA UNIV MINNESOTA (US) 2001-08-08 EP disclosed
CN-1299234-A Methods and compounds for genetic treatment of hyperlipidemia UNIV MINNESOTA (US) 2001-06-13 CN disclosed
EP-1054595-A1 METHODS AND COMPOUNDS FOR THE GENETIC TREATMENT OF HYPERLIPIDEMIA REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-11-29 EP disclosed
EP-0979311-A1 $i(IN VIVO) USE OF RECOMBINAGENIC OLIGONUCLEOBASES TO CORRECT GENETIC LESIONS IN HEPATOCYTES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-02-16 EP disclosed
WO-1999040789-A1 METHODS AND COMPOUNDS FOR THE GENETIC TREATMENT OF HYPERLIPIDEMIA REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-08-19 WO disclosed
WO-1998049350-A1 IN VIVO USE OF RECOMBINAGENIC OLIGONUCLEOBASES TO CORRECT GENETIC LESIONS IN HEPATOCYTES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-11-05 WO disclosed